COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.717  -0.938   2.354  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.100  -0.528   1.387  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.614  -0.744   0.031  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.936   0.138   1.550  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.263   0.589   0.433  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.788   0.356  -0.853  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.952  -0.304  -1.001  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.133   0.795  -1.931  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.000   1.446  -1.834  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.421   1.713  -0.588  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.061   1.279   0.566  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.896   2.590  -0.485  1.00  0.00           S  
HETATM   13  C   UNL     1       0.230   1.237  -0.403  1.00  0.00           C  
HETATM   14  N   UNL     1       1.519   1.490  -0.208  1.00  0.00           N  
HETATM   15  C   UNL     1       2.406   0.504  -0.139  1.00  0.00           C  
HETATM   16  N   UNL     1       3.748   0.772   0.065  1.00  0.00           N  
HETATM   17  C   UNL     1       4.250   1.758  -0.925  1.00  0.00           C  
HETATM   18  C   UNL     1       5.529   2.317  -0.252  1.00  0.00           C  
HETATM   19  C   UNL     1       5.133   2.382   1.241  1.00  0.00           C  
HETATM   20  N   UNL     1       4.691   3.738   1.593  1.00  0.00           N  
HETATM   21  C   UNL     1       3.970   1.384   1.392  1.00  0.00           C  
HETATM   22  C   UNL     1       1.951  -0.817  -0.278  1.00  0.00           C  
HETATM   23  C   UNL     1       0.577  -1.042  -0.483  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.241   0.008  -0.534  1.00  0.00           N  
HETATM   25  N   UNL     1       0.399  -2.394  -0.585  1.00  0.00           N  
HETATM   26  C   UNL     1       1.606  -3.037  -0.451  1.00  0.00           C  
HETATM   27  C   UNL     1       2.583  -2.136  -0.263  1.00  0.00           C  
HETATM   28 CL   UNL     1       4.273  -2.471  -0.045  1.00  0.00          Cl  
HETATM   29  C   UNL     1       1.803  -4.531  -0.507  1.00  0.00           C  
HETATM   30  C   UNL     1       1.794  -5.100   0.913  1.00  0.00           C  
HETATM   31  H   UNL     1      -7.546  -1.271  -0.112  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.578   0.297   2.438  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.503   1.783  -2.731  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.637   1.471   1.540  1.00  0.00           H  
HETATM   35  H   UNL     1       4.494   1.268  -1.868  1.00  0.00           H  
HETATM   36  H   UNL     1       3.518   2.551  -1.084  1.00  0.00           H  
HETATM   37  H   UNL     1       6.370   1.639  -0.400  1.00  0.00           H  
HETATM   38  H   UNL     1       5.762   3.311  -0.633  1.00  0.00           H  
HETATM   39  H   UNL     1       5.973   2.082   1.868  1.00  0.00           H  
HETATM   40  H   UNL     1       5.433   4.407   1.453  1.00  0.00           H  
HETATM   41  H   UNL     1       3.867   3.996   1.071  1.00  0.00           H  
HETATM   42  H   UNL     1       3.071   1.909   1.715  1.00  0.00           H  
HETATM   43  H   UNL     1       4.234   0.614   2.117  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.453  -2.834  -0.729  1.00  0.00           H  
HETATM   45  H   UNL     1       0.997  -4.982  -1.085  1.00  0.00           H  
HETATM   46  H   UNL     1       2.759  -4.753  -0.982  1.00  0.00           H  
HETATM   47  H   UNL     1       2.600  -4.648   1.491  1.00  0.00           H  
HETATM   48  H   UNL     1       0.838  -4.877   1.387  1.00  0.00           H  
HETATM   49  H   UNL     1       1.936  -6.179   0.873  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    7    7   31                                       
CONECT    4    2    5   32                                            
CONECT    5    4    6    6   11                                       
CONECT    6    7    5    5    8                                       
CONECT    7    3    3    6                                            
CONECT    8    6    9    9                                            
CONECT    9    8    8   10   33                                       
CONECT   10   11   11    9   12                                       
CONECT   11    5   10   10   34                                       
CONECT   12   10   13                                                 
CONECT   13   12   14   14   24                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   22   22                                       
CONECT   16   17   15   21                                            
CONECT   17   18   16   35   36                                       
CONECT   18   17   19   37   38                                       
CONECT   19   20   18   21   39                                       
CONECT   20   19   40   41                                            
CONECT   21   19   16   42   43                                       
CONECT   22   15   15   23   27                                       
CONECT   23   24   24   22   25                                       
CONECT   24   13   23   23                                            
CONECT   25   23   26   44                                            
CONECT   26   25   27   27   29                                       
CONECT   27   22   26   26   28                                       
CONECT   28   27                                                      
CONECT   29   26   30   45   46                                       
CONECT   30   29   47   48   49                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
